#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibl n LYS 3 N 0.00 0.63 -1.69 -0.52 5.02 -1.26 -4.78 118.16 115.57 1ibl n LYS 3 Ca 0.00 0.23 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 1ibl n LYS 3 Cb 0.00 -1.85 0.01 0.00 -0.02 0.00 0.00 35.03 33.17 1ibl n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1ibl n LYS 4 N 5.11 1.91 -4.59 1.97 3.00 -1.26 -4.62 118.16 119.68 1ibl n LYS 4 Ca 0.31 0.68 -0.26 0.00 -0.00 0.00 0.00 58.31 59.04 1ibl n LYS 4 Cb 0.05 -2.31 -0.17 0.00 0.00 0.00 0.00 35.03 32.60 1ibl n LYS 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ibl s VAL 5 N -1.17 1.23 0.21 3.15 1.01 -1.26 0.03 120.40 123.59 1ibl s VAL 5 Ca 0.59 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1ibl s VAL 5 Cb -0.54 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1ibl s VAL 5 CO 0.59 0.38 -0.12 -0.76 0.00 0.00 0.00 175.10 175.19 1ibl s LEU 6 N 0.72 2.53 0.03 3.92 1.43 0.17 -4.93 118.68 122.56 1ibl s LEU 6 Ca -0.13 -1.04 0.07 0.00 -1.03 0.00 0.00 54.13 51.99 1ibl s LEU 6 Cb -0.16 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.43 1ibl s LEU 6 CO 0.03 -0.22 -0.21 -0.89 0.23 0.00 0.00 176.35 175.29 1ibl s THR 7 N -3.04 1.65 0.09 5.49 2.01 -1.26 0.25 115.64 120.83 1ibl s THR 7 Ca 0.23 -1.14 -0.22 0.00 0.31 0.00 0.00 61.69 60.87 1ibl s THR 7 Cb 0.00 -1.43 0.07 0.00 0.01 0.00 0.00 72.50 71.16 1ibl s THR 7 CO 0.07 0.25 1.01 0.61 -0.69 0.00 0.00 174.62 175.87 1ibl n GLY 8 N 1.98 0.50 3.89 4.40 0.00 -0.68 -4.32 105.19 110.96 1ibl n GLY 8 Ca -0.17 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1ibl n GLY 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ibl s VAL 9 N -2.08 5.28 -0.37 1.61 1.01 -0.67 -1.11 120.40 124.07 1ibl s VAL 9 Ca 0.23 0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.04 1ibl s VAL 9 Cb -0.02 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.79 1ibl s VAL 9 CO 0.03 0.27 0.94 -0.69 0.00 0.00 0.00 175.10 175.64 1ibl s VAL 10 N -1.40 4.57 -0.25 2.92 1.01 -1.08 -0.13 120.40 126.04 1ibl s VAL 10 Ca 0.31 1.19 0.11 0.00 0.00 0.00 0.00 61.98 63.60 1ibl s VAL 10 Cb -0.13 -4.35 0.50 0.00 0.00 0.00 0.00 36.38 32.40 1ibl s VAL 10 CO 0.19 -0.56 1.43 1.33 0.00 0.00 0.00 175.10 177.49 1ibl n VAL 11 N 6.01 2.45 0.00 2.92 0.24 0.11 -2.60 118.33 127.45 1ibl n VAL 11 Ca 0.07 -2.54 0.00 0.00 -2.04 0.00 0.00 64.34 59.83 1ibl n VAL 11 Cb 0.48 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 1ibl n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1ibl n SER 12 N -1.01 0.00 -0.21 -1.34 2.88 -1.24 -4.88 113.62 107.83 1ibl n SER 12 Ca 0.29 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.88 1ibl n SER 12 Cb 0.97 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.53 1ibl n SER 12 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ibl n ASP 13 N 0.00 2.46 0.00 -3.46 4.64 -1.26 -1.49 116.55 117.43 1ibl n ASP 13 Ca 0.00 -2.50 0.01 0.00 -1.38 0.00 0.00 54.79 50.92 1ibl n ASP 13 Cb 0.00 -0.24 0.05 0.00 -1.04 0.00 0.00 41.12 39.89 1ibl n ASP 13 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1ibl n LYS 14 N -0.70 0.01 -4.08 -0.67 5.02 -1.26 -4.70 118.16 111.78 1ibl n LYS 14 Ca 0.10 0.38 -0.23 0.00 -2.02 0.00 0.00 58.31 56.53 1ibl n LYS 14 Cb 0.48 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 1ibl n LYS 14 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1ibl s MET 15 N -2.82 2.45 -0.01 1.97 -1.94 -1.26 -5.10 119.30 112.60 1ibl s MET 15 Ca 0.02 -1.47 -0.30 0.00 -1.71 0.00 0.00 55.69 52.23 1ibl s MET 15 Cb 0.02 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.59 1ibl s MET 15 CO 0.04 0.16 0.98 -0.65 -0.01 0.00 0.00 175.02 175.54 1ibl s GLN 16 N -3.85 4.55 -0.94 2.03 -0.21 -1.26 -3.68 119.66 116.31 1ibl s GLN 16 Ca 0.37 1.42 0.00 0.00 0.02 0.00 0.00 55.36 57.17 1ibl s GLN 16 Cb -0.04 -3.47 0.00 0.00 1.00 0.00 0.00 33.01 30.50 1ibl s GLN 16 CO 0.23 -0.08 0.00 1.63 -2.12 0.00 0.00 175.29 174.95 1ibl n LYS 17 N 4.00 -1.99 -3.81 2.91 5.02 -1.26 -4.92 118.16 118.12 1ibl n LYS 17 Ca 0.06 0.53 -0.13 0.00 -2.02 0.00 0.00 58.31 56.75 1ibl n LYS 17 Cb 0.51 -4.98 -0.13 0.00 -0.02 0.00 0.00 35.03 30.41 1ibl n LYS 17 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ibl s THR 18 N -2.29 -0.00 -0.03 -0.18 2.01 -1.24 -0.62 115.64 113.29 1ibl s THR 18 Ca 0.00 0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.03 1ibl s THR 18 Cb 0.00 -0.24 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1ibl s THR 18 CO 0.00 0.00 -0.07 0.68 -0.69 0.00 0.00 174.62 174.54 1ibl s VAL 19 N 0.17 0.66 -0.23 3.82 -7.23 -0.90 -4.07 120.40 112.61 1ibl s VAL 19 Ca -0.01 -0.26 -0.27 0.00 -1.81 0.00 0.00 61.98 59.63 1ibl s VAL 19 Cb -0.02 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.31 1ibl s VAL 19 CO -0.00 0.22 0.93 -0.89 -0.31 0.00 0.00 175.10 175.05 1ibl s THR 20 N 0.40 4.76 -0.25 5.32 2.01 -0.56 -1.17 115.64 126.16 1ibl s THR 20 Ca -0.06 1.80 -0.05 0.00 0.31 0.00 0.00 61.69 63.69 1ibl s THR 20 Cb -0.10 -4.21 -0.00 0.00 0.01 0.00 0.00 72.50 68.20 1ibl s THR 20 CO 0.00 -0.12 0.01 -0.69 -0.69 0.00 0.00 174.62 173.14 1ibl s VAL 21 N 2.98 3.65 -0.30 3.82 1.01 0.27 0.06 120.40 131.90 1ibl s VAL 21 Ca 0.39 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 1ibl s VAL 21 Cb -0.15 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.46 1ibl s VAL 21 CO 0.07 0.26 0.85 -0.22 0.00 0.00 0.00 175.10 176.06 1ibl s LEU 22 N 1.49 4.06 -0.23 3.92 2.96 0.82 -0.32 118.68 131.38 1ibl s LEU 22 Ca 0.04 0.80 -0.05 0.00 -0.22 0.00 0.00 54.13 54.71 1ibl s LEU 22 Cb -0.16 -3.19 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 1ibl s LEU 22 CO -0.00 -0.65 -0.01 -0.69 -1.32 0.00 0.00 176.35 173.68 1ibl s VAL 23 N 3.07 3.66 0.24 1.68 1.01 0.73 -1.66 120.40 129.13 1ibl s VAL 23 Ca 0.35 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1ibl s VAL 23 Cb -0.14 -2.68 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 1ibl s VAL 23 CO 0.12 0.40 0.70 -0.70 0.00 0.00 0.00 175.10 175.62 1ibl s GLU 24 N 1.50 4.13 0.07 2.72 2.12 -1.26 -1.05 118.70 126.93 1ibl s GLU 24 Ca 0.06 0.74 0.05 0.00 0.36 0.00 0.00 54.97 56.18 1ibl s GLU 24 Cb -0.14 -2.75 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 1ibl s GLU 24 CO -0.01 0.34 -0.14 0.50 -0.54 0.00 0.00 175.26 175.40 1ibl s ARG 25 N -2.28 0.83 0.01 4.30 3.52 0.18 -4.96 118.95 120.55 1ibl s ARG 25 Ca 0.46 -0.95 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 1ibl s ARG 25 Cb -0.14 -0.84 -0.01 0.00 -1.56 0.00 0.00 34.95 32.39 1ibl s ARG 25 CO 0.20 0.19 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.68 1ibl s GLN 26 N -1.72 0.45 -0.21 5.12 0.74 -1.26 -1.67 119.66 121.10 1ibl s GLN 26 Ca -0.02 -0.38 -0.36 0.00 0.05 0.00 0.00 55.36 54.65 1ibl s GLN 26 Cb -0.10 -0.35 0.15 0.00 1.10 0.00 0.00 33.01 33.81 1ibl s GLN 26 CO 0.02 0.09 1.39 -0.59 -0.55 0.00 0.00 175.29 175.65 1ibl s PHE 27 N -0.55 -0.01 0.16 1.67 -0.12 -0.28 -5.01 117.98 113.84 1ibl s PHE 27 Ca -0.02 0.00 -0.30 0.00 -0.05 0.00 0.00 56.93 56.56 1ibl s PHE 27 Cb -0.05 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.77 1ibl s PHE 27 CO -0.00 -0.03 1.11 -1.25 -0.05 0.00 0.00 175.22 175.00 1ibl s PRO 28 N -2.06 4.57 -0.01 1.99 0.04 -1.26 0.84 135.00 139.11 1ibl s PRO 28 Ca 0.13 1.73 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 1ibl s PRO 28 Cb 0.02 -3.29 -0.06 0.00 0.04 0.00 0.00 34.50 31.22 1ibl s PRO 28 CO -0.04 0.03 1.45 -1.58 0.04 0.00 0.00 177.00 176.90 1ibl s HIS 29 N -0.07 2.71 0.57 0.56 2.46 -0.92 -4.86 115.29 115.73 1ibl s HIS 29 Ca 0.51 0.70 0.42 0.00 0.47 0.00 0.00 55.06 57.16 1ibl s HIS 29 Cb -0.29 -3.72 1.54 0.00 -0.13 0.00 0.00 32.58 29.98 1ibl s HIS 29 CO 0.34 -2.72 1.59 -1.00 -2.47 0.00 0.00 174.74 170.49 1ibl h PRO 30 N 8.09 0.00 0.00 2.88 0.13 -1.92 -2.65 132.00 138.53 1ibl h PRO 30 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1ibl h PRO 30 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1ibl h PRO 30 CO 0.92 0.00 -0.56 -0.11 -0.23 0.00 0.00 178.00 178.01 1ibl n LEU 31 N -3.86 0.79 -0.77 1.56 7.94 -1.26 -4.84 117.00 116.56 1ibl n LEU 31 Ca 0.35 0.00 0.10 0.00 -1.11 0.00 0.00 56.01 55.35 1ibl n LEU 31 Cb 1.70 0.00 0.29 0.00 0.53 0.00 0.00 43.42 45.94 1ibl n LEU 31 CO 0.39 0.13 0.73 -1.22 -1.11 0.00 0.00 177.39 176.31 1ibl n TYR 32 N -1.68 0.38 0.00 1.96 0.53 -1.20 -4.99 117.16 112.17 1ibl n TYR 32 Ca 0.00 -0.19 0.00 0.00 -1.02 0.00 0.00 57.90 56.69 1ibl n TYR 32 Cb 0.28 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.59 1ibl n TYR 32 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ibl n GLY 33 N 1.25 1.19 1.78 2.72 0.00 -1.00 -4.90 105.19 106.22 1ibl n GLY 33 Ca 0.17 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1ibl n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ibl n LYS 34 N 0.00 0.00 -2.35 1.61 -0.00 -1.26 -2.63 118.16 113.52 1ibl n LYS 34 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 1ibl n LYS 34 Cb 0.00 -0.64 -0.02 0.00 -0.00 0.00 0.00 35.03 34.37 1ibl n LYS 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ibl s VAL 35 N -0.28 3.85 0.29 0.58 1.01 -1.26 -2.16 120.40 122.43 1ibl s VAL 35 Ca 0.39 0.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.17 1ibl s VAL 35 Cb -0.56 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.51 1ibl s VAL 35 CO 0.29 -0.89 0.52 0.27 0.00 0.00 0.00 175.10 175.30 1ibl s ILE 36 N 5.74 5.08 -0.16 2.22 -4.36 0.25 -4.82 121.20 125.16 1ibl s ILE 36 Ca 0.59 -0.18 0.01 0.00 -0.26 0.00 0.00 60.65 60.81 1ibl s ILE 36 Cb -0.13 -3.77 0.02 0.00 1.25 0.00 0.00 42.46 39.83 1ibl s ILE 36 CO 0.30 -0.37 -0.18 -0.75 0.24 0.00 0.00 174.94 174.17 1ibl s LYS 37 N -3.76 2.73 0.37 0.37 2.20 -1.26 -1.12 119.74 119.27 1ibl s LYS 37 Ca 0.42 -0.73 0.09 0.00 -0.36 0.00 0.00 55.97 55.38 1ibl s LYS 37 Cb -0.10 -2.35 -0.07 0.00 -1.51 0.00 0.00 37.83 33.80 1ibl s LYS 37 CO 0.32 -0.16 -0.04 0.50 -0.36 0.00 0.00 175.35 175.61 1ibl s ARG 38 N 1.21 1.90 0.16 4.03 6.06 -0.67 -4.96 118.95 126.66 1ibl s ARG 38 Ca 0.01 -1.98 -0.08 0.00 -2.50 0.00 0.00 55.73 51.18 1ibl s ARG 38 Cb -0.14 -1.70 -0.01 0.00 0.06 0.00 0.00 34.95 33.16 1ibl s ARG 38 CO -0.09 0.07 0.25 -1.54 -2.50 0.00 0.00 175.30 171.49 1ibl s SER 39 N -3.66 0.08 -0.15 -2.12 1.04 -1.26 0.51 113.70 108.14 1ibl s SER 39 Ca 0.34 -0.91 -0.19 0.00 0.48 0.00 0.00 55.95 55.67 1ibl s SER 39 Cb 0.05 0.41 0.05 0.00 0.10 0.00 0.00 66.02 66.63 1ibl s SER 39 CO 0.17 -0.86 0.51 -0.75 0.98 0.00 0.00 173.24 173.29 1ibl s LYS 40 N -3.97 0.67 -0.18 4.02 2.20 -0.22 -4.97 119.74 117.29 1ibl s LYS 40 Ca 0.18 0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 56.17 1ibl s LYS 40 Cb 0.04 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1ibl s LYS 40 CO -0.00 -0.12 0.36 0.15 -0.36 0.00 0.00 175.35 175.38 1ibl s LYS 41 N -0.12 4.23 -0.03 4.03 1.02 -1.26 -0.19 119.74 127.41 1ibl s LYS 41 Ca -0.03 0.18 0.03 0.00 0.02 0.00 0.00 55.97 56.17 1ibl s LYS 41 Cb -0.03 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1ibl s LYS 41 CO 0.02 0.10 -0.12 0.71 -0.92 0.00 0.00 175.35 175.14 1ibl s TYR 42 N 0.88 2.77 -0.41 3.18 1.51 0.57 -4.91 117.35 120.95 1ibl s TYR 42 Ca 0.19 -0.11 -0.15 0.00 -1.01 0.00 0.00 57.07 55.99 1ibl s TYR 42 Cb -0.14 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.11 1ibl s TYR 42 CO 0.07 0.26 0.29 -0.51 -1.11 0.00 0.00 175.55 174.54 1ibl s LEU 43 N -0.95 5.07 0.26 -1.29 1.43 -1.26 0.98 118.68 122.91 1ibl s LEU 43 Ca 0.13 -0.91 0.05 0.00 -1.03 0.00 0.00 54.13 52.37 1ibl s LEU 43 Cb -0.11 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 1ibl s LEU 43 CO 0.02 -0.44 0.39 0.00 0.23 0.00 0.00 176.35 176.55 1ibl s ALA 44 N 1.66 4.00 -0.24 4.21 0.00 -0.31 -3.97 121.76 127.12 1ibl s ALA 44 Ca 0.05 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.49 1ibl s ALA 44 Cb -0.19 -1.71 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1ibl s ALA 44 CO 0.10 0.17 0.76 -1.58 0.00 0.00 0.00 175.76 175.21 1ibl s HIS 45 N -2.03 3.31 -0.67 0.00 2.46 0.31 -2.12 115.29 116.55 1ibl s HIS 45 Ca 0.37 1.04 0.05 0.00 0.47 0.00 0.00 55.06 56.99 1ibl s HIS 45 Cb -0.09 -2.98 0.20 0.00 -0.13 0.00 0.00 32.58 29.58 1ibl s HIS 45 CO 0.29 -0.36 0.59 -3.47 -2.47 0.00 0.00 174.74 169.33 1ibl n ASP 46 N 5.82 3.17 -0.32 9.88 4.64 0.21 -3.06 116.55 136.89 1ibl n ASP 46 Ca 0.03 -3.27 0.20 0.00 -1.38 0.00 0.00 54.79 50.38 1ibl n ASP 46 Cb 0.48 -0.72 0.41 0.00 -1.04 0.00 0.00 41.12 40.26 1ibl n ASP 46 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1ibl h PRO 47 N 4.90 0.25 -0.61 -0.67 0.11 -1.95 -1.85 132.00 132.17 1ibl h PRO 47 Ca 0.17 -0.01 -0.33 0.00 0.11 0.00 0.00 66.00 65.94 1ibl h PRO 47 Cb 0.72 -0.06 -0.19 0.00 0.11 0.00 0.00 31.00 31.58 1ibl h PRO 47 CO 0.75 0.16 0.19 0.39 -0.21 0.00 0.00 178.00 179.28 1ibl n GLU 48 N -5.14 2.05 -3.70 1.05 1.02 -1.26 -4.82 120.64 109.84 1ibl n GLU 48 Ca 0.28 -3.17 -0.20 0.00 -0.02 0.00 0.00 57.16 54.05 1ibl n GLU 48 Cb 0.90 -1.97 -0.02 0.00 -0.02 0.00 0.00 31.44 30.33 1ibl n GLU 48 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ibl n GLU 49 N -1.12 -0.77 0.02 3.49 -0.58 -0.70 -4.81 120.64 116.17 1ibl n GLU 49 Ca 0.44 -0.12 -0.19 0.00 -0.42 0.00 0.00 57.16 56.87 1ibl n GLU 49 Cb 1.24 -1.19 -0.14 0.00 -0.57 0.00 0.00 31.44 30.79 1ibl n GLU 49 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1ibl h LYS 50 N -0.04 0.25 -6.47 3.49 3.64 -1.93 -3.48 116.57 112.04 1ibl h LYS 50 Ca -0.35 -0.42 -0.53 0.00 -1.27 0.00 0.00 60.65 58.08 1ibl h LYS 50 Cb 0.70 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1ibl h LYS 50 CO 0.30 1.12 -0.02 0.71 -2.27 0.00 0.00 179.45 179.30 1ibl s TYR 51 N -2.57 3.54 0.42 1.91 1.51 -1.26 -5.09 117.35 115.81 1ibl s TYR 51 Ca -0.18 1.13 0.03 0.00 -1.01 0.00 0.00 57.07 57.04 1ibl s TYR 51 Cb 0.07 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.45 1ibl s TYR 51 CO 0.80 0.32 0.06 0.15 -1.11 0.00 0.00 175.55 175.77 1ibl s LYS 52 N -2.29 1.96 0.62 -0.62 1.02 -1.26 -4.96 119.74 114.21 1ibl s LYS 52 Ca 0.43 -2.18 -0.18 0.00 0.02 0.00 0.00 55.97 54.06 1ibl s LYS 52 Cb -0.14 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 1ibl s LYS 52 CO 0.20 -0.33 1.25 -0.51 -0.92 0.00 0.00 175.35 175.03 1ibl s LEU 53 N -3.68 3.61 0.00 3.17 1.02 -1.26 -2.83 118.68 118.71 1ibl s LEU 53 Ca 0.22 2.50 0.00 0.00 0.02 0.00 0.00 54.13 56.87 1ibl s LEU 53 Cb 0.04 -4.61 0.00 0.00 0.02 0.00 0.00 46.19 41.65 1ibl s LEU 53 CO 0.12 -1.81 0.00 0.61 0.02 0.00 0.00 176.35 175.28 1ibl n GLY 54 N 0.69 1.06 3.59 -3.19 0.00 -1.07 -4.53 105.19 101.74 1ibl n GLY 54 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1ibl n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ibl s ASP 55 N -3.01 6.55 -0.23 1.61 1.01 -1.13 -2.21 116.67 119.27 1ibl s ASP 55 Ca 0.00 0.38 -0.29 0.00 0.71 0.00 0.00 52.55 53.35 1ibl s ASP 55 Cb 0.00 -2.39 -0.01 0.00 1.01 0.00 0.00 42.92 41.53 1ibl s ASP 55 CO 0.00 -0.69 1.36 -0.69 0.21 0.00 0.00 175.17 175.36 1ibl s VAL 56 N 3.02 4.08 0.34 -1.27 1.01 0.33 -2.63 120.40 125.28 1ibl s VAL 56 Ca 0.30 1.25 0.09 0.00 0.00 0.00 0.00 61.98 63.63 1ibl s VAL 56 Cb -0.13 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.18 1ibl s VAL 56 CO 0.16 -0.32 -0.08 0.68 0.00 0.00 0.00 175.10 175.54 1ibl s VAL 57 N 4.22 2.16 0.03 2.92 -7.23 -0.27 0.44 120.40 122.67 1ibl s VAL 57 Ca 0.59 -2.18 -0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1ibl s VAL 57 Cb -0.20 -2.65 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 1ibl s VAL 57 CO 0.22 -0.20 0.15 -1.61 -0.31 0.00 0.00 175.10 173.35 1ibl s GLU 58 N -3.63 3.25 -0.06 4.82 2.02 -1.24 -1.69 118.70 122.18 1ibl s GLU 58 Ca 0.32 -0.46 0.04 0.00 0.02 0.00 0.00 54.97 54.89 1ibl s GLU 58 Cb 0.03 -2.96 -0.00 0.00 0.10 0.00 0.00 34.13 31.30 1ibl s GLU 58 CO 0.16 0.63 -0.18 0.42 0.02 0.00 0.00 175.26 176.31 1ibl s ILE 59 N -1.36 1.54 -0.09 -1.63 -1.09 0.69 -0.26 121.20 119.00 1ibl s ILE 59 Ca 0.29 -0.76 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 1ibl s ILE 59 Cb -0.13 -1.33 -0.01 0.00 -1.58 0.00 0.00 42.46 39.41 1ibl s ILE 59 CO 0.21 0.44 -0.22 -0.51 -1.23 0.00 0.00 174.94 173.64 1ibl s ILE 60 N 0.19 2.32 0.34 2.92 -1.16 -0.38 0.45 121.20 125.87 1ibl s ILE 60 Ca -0.08 -0.95 -0.27 0.00 -0.51 0.00 0.00 60.65 58.84 1ibl s ILE 60 Cb -0.14 -1.89 -0.13 0.00 0.61 0.00 0.00 42.46 40.92 1ibl s ILE 60 CO 0.04 0.56 1.08 1.21 -2.81 0.00 0.00 174.94 175.01 1ibl n GLU 61 N 3.23 1.55 -3.95 3.50 2.13 0.10 -2.24 120.64 124.97 1ibl n GLU 61 Ca -0.18 0.54 -0.09 0.00 0.66 0.00 0.00 57.16 58.10 1ibl n GLU 61 Cb 0.53 -2.01 -0.04 0.00 0.27 0.00 0.00 31.44 30.19 1ibl n GLU 61 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1ibl s SER 62 N -0.54 -0.08 0.18 4.31 0.01 -1.10 -4.80 113.70 111.68 1ibl s SER 62 Ca 0.59 -0.88 -0.31 0.00 1.31 0.00 0.00 55.95 56.66 1ibl s SER 62 Cb -0.63 0.66 -0.09 0.00 0.21 0.00 0.00 66.02 66.16 1ibl s SER 62 CO 0.60 -1.26 1.46 -0.60 0.41 0.00 0.00 173.24 173.85 1ibl s ARG 63 N -3.80 4.27 -0.00 12.44 3.52 -1.26 -4.65 118.95 129.47 1ibl s ARG 63 Ca 0.19 2.25 -0.35 0.00 -0.13 0.00 0.00 55.73 57.68 1ibl s ARG 63 Cb -0.03 -3.16 -0.18 0.00 -1.56 0.00 0.00 34.95 30.02 1ibl s ARG 63 CO 0.09 -0.47 0.94 -2.30 -0.81 0.00 0.00 175.30 172.75 1ibl n PRO 64 N 3.30 0.00 -0.01 5.12 -0.02 -1.26 -4.84 135.00 137.29 1ibl n PRO 64 Ca 0.10 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.67 1ibl n PRO 64 Cb 0.40 -1.32 -0.13 0.00 -0.02 0.00 0.00 33.50 32.43 1ibl n PRO 64 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1ibl n ILE 65 N 1.32 0.00 -1.94 4.25 -0.00 -0.31 -5.02 119.36 117.66 1ibl n ILE 65 Ca 0.18 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.56 1ibl n ILE 65 Cb 0.07 0.21 0.00 0.00 -0.00 0.00 0.00 39.64 39.92 1ibl n ILE 65 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1ibl n SER 66 N -2.03 0.00 -4.78 4.38 3.41 -1.12 -4.99 113.62 108.49 1ibl n SER 66 Ca -0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.25 1ibl n SER 66 Cb 0.44 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.41 1ibl n SER 66 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1ibl s LYS 67 N -0.85 3.18 0.00 4.33 2.20 -1.26 -2.97 119.74 124.38 1ibl s LYS 67 Ca 0.00 1.43 0.00 0.00 -0.36 0.00 0.00 55.97 57.04 1ibl s LYS 67 Cb 0.00 -2.00 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 1ibl s LYS 67 CO 0.00 -0.95 0.00 -2.13 -0.36 0.00 0.00 175.35 171.91 1ibl n ARG 68 N -1.82 0.00 -3.28 4.03 3.00 -1.26 -4.85 116.66 112.49 1ibl n ARG 68 Ca 0.10 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.51 1ibl n ARG 68 Cb 0.52 -0.99 -0.07 0.00 0.00 0.00 0.00 32.46 31.92 1ibl n ARG 68 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1ibl s LYS 69 N 0.00 3.03 -0.16 -0.14 2.20 -1.16 -4.52 119.74 119.00 1ibl s LYS 69 Ca 0.00 -1.24 0.19 0.00 -0.36 0.00 0.00 55.97 54.56 1ibl s LYS 69 Cb 0.00 -4.15 0.45 0.00 -1.51 0.00 0.00 37.83 32.62 1ibl s LYS 69 CO 0.00 -1.18 1.17 0.54 -0.36 0.00 0.00 175.35 175.52 1ibl n ARG 70 N 5.64 1.39 -3.66 4.03 3.00 -1.25 -1.16 116.66 124.64 1ibl n ARG 70 Ca -0.10 -3.03 -0.11 0.00 -0.01 0.00 0.00 57.85 54.60 1ibl n ARG 70 Cb 0.44 -1.15 -0.05 0.00 0.00 0.00 0.00 32.46 31.70 1ibl n ARG 70 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1ibl s PHE 71 N -2.28 -0.19 0.05 -1.55 0.08 -1.26 -2.72 117.98 110.11 1ibl s PHE 71 Ca 0.36 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.36 1ibl s PHE 71 Cb 0.37 0.23 -0.02 0.00 -0.57 0.00 0.00 43.02 43.02 1ibl s PHE 71 CO -0.08 -0.67 -0.12 1.03 -0.10 0.00 0.00 175.22 175.28 1ibl s ARG 72 N -3.57 0.78 -0.31 0.44 0.52 -0.95 0.11 118.95 115.97 1ibl s ARG 72 Ca 0.02 -0.77 -0.29 0.00 -0.52 0.00 0.00 55.73 54.17 1ibl s ARG 72 Cb 0.02 -0.74 -0.01 0.00 0.52 0.00 0.00 34.95 34.73 1ibl s ARG 72 CO -0.10 0.17 1.58 0.08 0.02 0.00 0.00 175.30 177.05 1ibl s VAL 73 N -1.01 3.73 0.08 3.52 1.01 -1.17 -1.25 120.40 125.31 1ibl s VAL 73 Ca -0.02 0.78 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 1ibl s VAL 73 Cb -0.08 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 1ibl s VAL 73 CO 0.01 -0.47 1.53 0.25 0.00 0.00 0.00 175.10 176.42 1ibl h LEU 74 N 12.32 0.35 0.00 3.92 6.46 -0.95 -3.47 115.31 133.93 1ibl h LEU 74 Ca -0.31 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.16 1ibl h LEU 74 Cb 1.14 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 1ibl h LEU 74 CO 1.04 0.54 0.00 -2.11 -0.62 0.00 0.00 178.44 177.29 1ibl n ARG 75 N -4.71 0.00 -3.66 1.25 1.85 -1.24 -4.97 116.66 105.17 1ibl n ARG 75 Ca -0.04 0.00 -0.19 0.00 -1.00 0.00 0.00 57.85 56.62 1ibl n ARG 75 Cb 0.21 0.00 -0.17 0.00 -1.05 0.00 0.00 32.46 31.45 1ibl n ARG 75 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1ibl s LEU 76 N 0.00 0.04 -0.05 2.89 0.20 -1.26 -3.67 118.68 116.83 1ibl s LEU 76 Ca 0.00 0.17 -0.00 0.00 0.69 0.00 0.00 54.13 54.99 1ibl s LEU 76 Cb 0.00 0.05 -0.00 0.00 -0.43 0.00 0.00 46.19 45.81 1ibl s LEU 76 CO 0.00 -0.25 -0.00 0.58 -0.29 0.00 0.00 176.35 176.39 1ibl h VAL 77 N 6.40 0.00 -3.38 1.68 2.07 -0.33 -3.48 116.25 119.21 1ibl h VAL 77 Ca -0.13 -0.54 -0.21 0.00 0.82 0.00 0.00 66.70 66.64 1ibl h VAL 77 Cb 1.12 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 30.61 1ibl h VAL 77 CO 0.15 0.00 -0.58 -1.83 0.02 0.00 0.00 177.57 175.33 1ibl s GLU 78 N -1.31 0.13 0.33 1.57 -1.05 -1.08 -5.00 118.70 112.29 1ibl s GLU 78 Ca -0.00 0.23 -0.07 0.00 -0.15 0.00 0.00 54.97 54.97 1ibl s GLU 78 Cb 0.00 -0.00 -0.06 0.00 -0.44 0.00 0.00 34.13 33.63 1ibl s GLU 78 CO 0.00 -0.06 0.64 0.45 0.95 0.00 0.00 175.26 177.24 1ibl s SER 79 N 0.39 6.48 0.07 0.83 0.15 -1.26 -0.51 113.70 119.85 1ibl s SER 79 Ca -0.03 0.89 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1ibl s SER 79 Cb -0.04 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.05 1ibl s SER 79 CO -0.02 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1ibl n GLY 80 N -1.05 -2.41 0.00 9.45 0.00 -1.14 -4.90 105.19 105.14 1ibl n GLY 80 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1ibl n GLY 80 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ibl n ARG 81 N 1.77 0.00 0.29 1.61 1.85 -0.94 -4.92 116.66 116.32 1ibl n ARG 81 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 57.85 57.04 1ibl n ARG 81 Cb 0.00 0.00 0.87 0.00 -1.05 0.00 0.00 32.46 32.28 1ibl n ARG 81 CO 0.00 0.00 0.00 0.52 -0.01 0.00 0.00 177.63 178.14 1ibl h MET 82 N 0.00 0.00 -0.94 2.89 2.86 -1.89 -3.05 114.93 114.81 1ibl h MET 82 Ca 0.00 0.00 0.24 0.00 -2.06 0.00 0.00 59.70 57.88 1ibl h MET 82 Cb 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.49 1ibl h MET 82 CO 0.00 0.00 -0.01 0.38 1.06 0.00 0.00 176.91 178.34 1ibl h ASP 83 N 0.00 -0.50 0.72 1.22 2.03 -1.96 1.29 116.42 119.22 1ibl h ASP 83 Ca 0.00 0.26 -0.04 0.00 -0.73 0.00 0.00 57.03 56.53 1ibl h ASP 83 Cb 0.29 0.47 0.01 0.00 -0.83 0.00 0.00 39.33 39.27 1ibl h ASP 83 CO 0.00 -0.31 -0.35 -0.07 -1.03 0.00 0.00 179.24 177.49 1ibl h LEU 84 N 0.03 -0.82 -0.82 0.15 3.38 -1.95 -1.02 115.31 114.26 1ibl h LEU 84 Ca 0.54 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.69 1ibl h LEU 84 Cb 1.05 0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.87 1ibl h LEU 84 CO -0.87 -0.44 -0.30 0.58 0.09 0.00 0.00 178.44 177.49 1ibl h VAL 85 N -1.26 0.11 -0.25 1.22 2.07 -0.63 0.16 116.25 117.68 1ibl h VAL 85 Ca -0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.47 1ibl h VAL 85 Cb 0.74 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.58 1ibl h VAL 85 CO 0.16 0.00 -0.06 -0.33 0.02 0.00 0.00 177.57 177.37 1ibl h GLU 86 N -0.05 0.00 -0.63 1.57 4.39 0.15 0.76 114.58 120.77 1ibl h GLU 86 Ca 0.34 -0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.16 1ibl h GLU 86 Cb 0.59 -0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.12 1ibl h GLU 86 CO -0.85 0.00 -0.21 -0.22 -1.16 0.00 0.00 179.01 176.57 1ibl h LYS 87 N 0.01 -0.05 0.48 2.33 3.64 0.65 -0.08 116.57 123.55 1ibl h LYS 87 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1ibl h LYS 87 Cb 0.18 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1ibl h LYS 87 CO -0.25 -0.03 -0.23 -0.92 -2.27 0.00 0.00 179.45 175.75 1ibl h TYR 88 N -0.05 -0.60 -0.79 1.91 3.20 0.41 -2.62 116.97 118.44 1ibl h TYR 88 Ca 0.29 -0.01 0.19 0.00 3.14 0.00 0.00 58.73 62.34 1ibl h TYR 88 Cb 0.50 0.20 -0.13 0.00 1.54 0.00 0.00 36.73 38.84 1ibl h TYR 88 CO -0.56 -0.29 0.15 -0.07 -1.64 0.00 0.00 178.16 175.76 1ibl h LEU 89 N -0.84 -0.08 0.09 2.82 3.38 0.12 -0.83 115.31 119.96 1ibl h LEU 89 Ca -0.07 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ibl h LEU 89 Cb 0.58 0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1ibl h LEU 89 CO 0.11 -0.11 -0.05 0.40 0.09 0.00 0.00 178.44 178.88 1ibl h ILE 90 N 0.21 0.90 -0.97 1.22 2.04 -1.01 -0.33 117.51 119.58 1ibl h ILE 90 Ca 0.46 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.54 1ibl h ILE 90 Cb 0.84 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.74 1ibl h ILE 90 CO -0.60 0.00 0.62 -0.09 0.00 0.00 0.00 178.15 178.09 1ibl h ARG 91 N -0.13 0.48 -0.04 2.37 2.43 -0.79 0.70 114.38 119.40 1ibl h ARG 91 Ca -0.01 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 1ibl h ARG 91 Cb 0.10 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1ibl h ARG 91 CO 0.02 0.32 -0.72 -0.09 -1.51 0.00 0.00 179.97 177.99 1ibl h ARG 92 N 0.49 0.24 -0.33 0.20 2.43 -0.50 -3.16 114.38 113.76 1ibl h ARG 92 Ca 0.53 -0.20 -0.09 0.00 -0.81 0.00 0.00 59.98 59.41 1ibl h ARG 92 Cb 1.20 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1ibl h ARG 92 CO -0.26 0.86 -0.15 0.37 -1.51 0.00 0.00 179.97 179.28 1ibl h GLN 93 N 0.16 0.60 -0.08 0.20 4.15 0.20 -2.73 115.11 117.62 1ibl h GLN 93 Ca -0.02 -0.20 -0.06 0.00 0.77 0.00 0.00 58.65 59.14 1ibl h GLN 93 Cb 1.27 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.90 1ibl h GLN 93 CO 0.11 0.73 -0.21 -0.91 -1.93 0.00 0.00 178.83 176.62 1ibl h ASN 94 N 0.54 0.13 0.00 -0.69 4.21 -1.10 -3.31 115.58 115.36 1ibl h ASN 94 Ca 0.09 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.57 1ibl h ASN 94 Cb 0.58 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1ibl h ASN 94 CO 0.04 0.35 0.00 -1.22 -1.29 0.00 0.00 177.43 175.31 1ibl n TYR 95 N -4.23 0.00 -0.17 1.19 4.02 -1.03 -2.47 117.16 114.47 1ibl n TYR 95 Ca -0.01 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.02 1ibl n TYR 95 Cb 0.31 -0.22 0.26 0.00 -0.02 0.00 0.00 39.34 39.66 1ibl n TYR 95 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 1ibl n GLN 96 N -1.31 -0.02 0.00 -0.72 0.00 -1.24 -1.91 117.38 112.18 1ibl n GLN 96 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.00 57.51 1ibl n GLN 96 Cb 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 30.24 29.27 1ibl n GLN 96 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ibl n SER 97 N -3.57 0.00 -2.37 1.69 7.64 -1.03 -4.53 113.62 111.45 1ibl n SER 97 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ibl n SER 97 Cb 0.59 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.79 1ibl n SER 97 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ibl n LEU 98 N 0.00 -0.25 0.00 -3.43 -0.00 -0.19 -3.41 117.00 109.72 1ibl n LEU 98 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.69 1ibl n LEU 98 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ibl n LEU 98 CO 0.00 -0.44 0.00 -1.54 -0.00 0.00 0.00 177.39 175.41 1ibl n SER 99 N 1.85 0.00 -0.00 1.45 3.41 -1.26 -4.76 113.62 114.31 1ibl n SER 99 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 1ibl n SER 99 Cb 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 1ibl n SER 99 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ibl n LYS 100 N -0.08 1.06 -0.09 4.33 5.02 -1.26 -4.64 118.16 122.50 1ibl n LYS 100 Ca 0.00 -0.09 -0.19 0.00 -2.02 0.00 0.00 58.31 56.01 1ibl n LYS 100 Cb 0.00 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1ibl n LYS 100 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ibl n ARG 101 N -1.78 0.41 0.00 1.97 5.12 -1.26 -5.14 116.66 115.97 1ibl n ARG 101 Ca -0.01 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 1ibl n ARG 101 Cb 0.33 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 1ibl n ARG 101 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ibl n GLY 102 N 1.81 3.39 1.11 -0.13 0.00 -1.22 -4.95 105.19 105.20 1ibl n GLY 102 Ca -0.34 -1.81 -0.07 0.00 0.00 0.00 0.00 46.02 43.80 1ibl n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibl n GLY 103 N -1.59 -2.40 0.00 -0.02 0.00 -1.26 -1.02 105.19 98.90 1ibl n GLY 103 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1ibl n GLY 103 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ibl n LYS 104 N -1.74 3.55 0.00 1.61 0.00 -1.26 -4.41 118.16 115.91 1ibl n LYS 104 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.34 1ibl n LYS 104 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.17 1ibl n LYS 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40